6XLH
 
 | | Asymmetric hydrolysis state of Hsc82 in complex with Aha1 bound with ADP and ATPgammaS | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP-dependent molecular chaperone HSC82, Hsp90 co-chaperone AHA1, ... | | Authors: | Liu, Y.X, Sun, M, Myasnikov, A.G, Elnatan, D, Agard, D.A. | | Deposit date: | 2020-06-28 | | Release date: | 2021-06-30 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (2.83 Å) | | Cite: | Cryo-EM structures reveal a multistep mechanism of Hsp90 activation by co-chaperone Aha1
To Be Published
|
|
6XVU
 | |
5MJ6
 | | Ligand-induced conformational change of Insulin-regulated aminopeptidase: insights on catalytic mechanism and active site plasticity. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BROMIDE ION, ... | | Authors: | Mpakali, A, Stratikos, E, Saridakis, E, Giastas, P. | | Deposit date: | 2016-11-30 | | Release date: | 2017-04-05 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Ligand-Induced Conformational Change of Insulin-Regulated Aminopeptidase: Insights on Catalytic Mechanism and Active Site Plasticity.
J. Med. Chem., 60, 2017
|
|
5MKB
 | | Maltodextrin binding protein MalE1 from L. casei BL23 without ligand | | Descriptor: | MalE1 | | Authors: | Homburg, C, Bommer, M, Wuttge, S, Hobe, C, Beck, S, Dobbek, H, Deutscher, J, Licht, A, Schneider, E. | | Deposit date: | 2016-12-03 | | Release date: | 2017-07-05 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.698 Å) | | Cite: | Inducer exclusion in Firmicutes: insights into the regulation of a carbohydrate ATP binding cassette transporter from Lactobacillus casei BL23 by the signal transducing protein P-Ser46-HPr.
Mol. Microbiol., 105, 2017
|
|
4R8L
 | |
4R96
 | | Structure of a Llama Glama Fab 48A2 against human cMet | | Descriptor: | Llama glama Fab 48A2 against human cMet H chain, Llama glama Fab 48A2 against human cMet L chain | | Authors: | Klarenbeek, A, El Mazouari, K, Desmyter, A, Blanchetot, C, Hultberg, A, Roovers, R.C, Cambillau, C, Spinelli, S, Del-Favero, J, Verrips, T, de Haard, H, Achour, I. | | Deposit date: | 2014-09-03 | | Release date: | 2015-06-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.31 Å) | | Cite: | Camelid Ig V genes reveal significant human homology not seen in therapeutic target genes, providing for a powerful therapeutic antibody platform.
MAbs, 7, 2015
|
|
8VBL
 | | Structure of bovine anti-HIV Fab ElsE6 | | Descriptor: | Bovine Fab ElsE6 heavy chain, Bovine Fab ElsE6 light chain | | Authors: | Stanfield, R.L, Wilson, I.A. | | Deposit date: | 2023-12-12 | | Release date: | 2024-09-04 | | Last modified: | 2024-09-25 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Immunization of cows with HIV envelope trimers generates broadly neutralizing antibodies to the V2-apex from the ultralong CDRH3 repertoire.
Plos Pathog., 20, 2024
|
|
5MMW
 | | Crystal structure of the Retinoid X Receptor alpha in complex with synthetic honokiol derivative 6 and a fragment of the TIF2 co-activator. | | Descriptor: | (~{E})-3-[3-(2-methyl-3-phenyl-phenyl)-4-oxidanyl-phenyl]prop-2-enoic acid, LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN, Retinoic acid receptor RXR-alpha | | Authors: | Andrei, S.A, Brunsveld, L, Scheepstra, M, Ottmann, C. | | Deposit date: | 2016-12-12 | | Release date: | 2017-11-08 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Ligand Dependent Switch from RXR Homo- to RXR-NURR1 Heterodimerization.
ACS Chem Neurosci, 8, 2017
|
|
5MMP
 | | E. coli DNA Gyrase B 24 kDa ATPase domain in complex with 1-ethyl-3-[5-pyridin-4-yl-8-(pyridin-3-ylamino)-isoquinolin-3-yl]-urea | | Descriptor: | 1-ethyl-3-[5-pyridin-4-yl-8-(pyridin-3-ylamino)isoquinolin-3-yl]urea, DNA gyrase subunit B | | Authors: | Panchaud, P, Bruyere, T, Blumstein, A.-C, Bur, D, Chambovey, A, Ertel, E.A, Gude, M, Hubschwerlen, C, Jacob, L, Kimmerlin, T, Pfeifer, T, Prade, L, Seiler, P, Ritz, D, Rueedi, G. | | Deposit date: | 2016-12-12 | | Release date: | 2017-04-26 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Discovery and Optimization of Isoquinoline Ethyl Ureas as Antibacterial Agents.
J. Med. Chem., 60, 2017
|
|
8G6Z
 | | JAK2 crystal structure in complex with Compound 13 | | Descriptor: | (3R)-3-cyclopentyl-3-[(4M)-4-{5-methyl-2-[(1-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl}-1H-pyrazol-1-yl]propanenitrile, 1,2-ETHANEDIOL, Tyrosine-protein kinase JAK2 | | Authors: | Miller, S.T, Ellis, D.A. | | Deposit date: | 2023-02-16 | | Release date: | 2023-06-21 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Eyes on Topical Ocular Disposition: The Considered Design of a Lead Janus Kinase (JAK) Inhibitor That Utilizes a Unique Azetidin-3-Amino Bridging Scaffold to Attenuate Off-Target Kinase Activity, While Driving Potency and Aqueous Solubility.
J.Med.Chem., 66, 2023
|
|
8VBM
 | | Structure of bovine anti-HIV Fab ElsE7 | | Descriptor: | Bovine Fab ElsE7 heavy chain, Bovine Fab ElsE7 light chain | | Authors: | Stanfield, R.L, Wilson, I.A. | | Deposit date: | 2023-12-12 | | Release date: | 2024-09-04 | | Last modified: | 2024-09-25 | | Method: | X-RAY DIFFRACTION (2.54 Å) | | Cite: | Immunization of cows with HIV envelope trimers generates broadly neutralizing antibodies to the V2-apex from the ultralong CDRH3 repertoire.
Plos Pathog., 20, 2024
|
|
8VBP
 | | Structure of bovine anti-HIV Fab Bess4 | | Descriptor: | Bovine Fab Bess4 heavy chain, Bovine Fab Bess4 light chain | | Authors: | Stanfield, R.L, Wilson, I.A. | | Deposit date: | 2023-12-12 | | Release date: | 2024-09-04 | | Last modified: | 2024-09-25 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Immunization of cows with HIV envelope trimers generates broadly neutralizing antibodies to the V2-apex from the ultralong CDRH3 repertoire.
Plos Pathog., 20, 2024
|
|
4RCR
 | | STRUCTURE OF THE REACTION CENTER FROM RHODOBACTER SPHAEROIDES R-26 AND 2.4.1: PROTEIN-COFACTOR (BACTERIOCHLOROPHYLL, BACTERIOPHEOPHYTIN, AND CAROTENOID) INTERACTIONS | | Descriptor: | BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, FE (III) ION, ... | | Authors: | Komiya, H, Yeates, T.O, Chirino, A.J, Rees, D.C, Allen, J.P, Feher, G. | | Deposit date: | 1991-09-09 | | Release date: | 1993-10-31 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of the reaction center from Rhodobacter sphaeroides R-26 and 2.4.1: protein-cofactor (bacteriochlorophyll, bacteriopheophytin, and carotenoid) interactions.
Proc.Natl.Acad.Sci.USA, 85, 1988
|
|
8QJI
 | | Crystal structure of GSK3b in complex with N-(4-(5-(1,2,4-oxadiazol-3-yl)thiophen-2-yl)pyridin-2-yl)cyclopropanecarboxamide inhibitor (TW362) | | Descriptor: | Glycogen synthase kinase-3 beta, N-[4-[5-(1,2,4-oxadiazol-3-yl)thiophen-2-yl]pyridin-2-yl]cyclopropanecarboxamide | | Authors: | Slugocka, E.A, Grygier, P, Wichur, T, Czarna, A, Wieckowska, A. | | Deposit date: | 2023-09-13 | | Release date: | 2024-09-04 | | Last modified: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (3.02 Å) | | Cite: | Exploring Novel GSK-3 beta Inhibitors for Anti-Neuroinflammatory and Neuroprotective Effects: Synthesis, Crystallography, Computational Analysis, and Biological Evaluation.
Acs Chem Neurosci, 15, 2024
|
|
4R4S
 | | Crystal structure of chimeric beta-lactamase cTEM-19m at 1.1 angstrom resolution | | Descriptor: | Beta-lactamase TEM,Beta-lactamase PSE-4, CHLORIDE ION, MAGNESIUM ION | | Authors: | Park, J, Gobeil, S, Pelletier, J.N, Berghuis, A.M. | | Deposit date: | 2014-08-19 | | Release date: | 2015-11-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | The Structural Dynamics of Engineered beta-Lactamases Vary Broadly on Three Timescales yet Sustain Native Function.
Sci Rep, 9, 2019
|
|
5MNY
 | | Neutron structure of cationic trypsin in complex with aniline | | Descriptor: | CALCIUM ION, Cationic trypsin, phenylazanium | | Authors: | Schiebel, J, Schrader, T.E, Ostermann, A, Heine, A, Klebe, G. | | Deposit date: | 2016-12-13 | | Release date: | 2017-05-24 | | Last modified: | 2024-01-17 | | Method: | NEUTRON DIFFRACTION (1.43 Å) | | Cite: | Charges Shift Protonation: Neutron Diffraction Reveals that Aniline and 2-Aminopyridine Become Protonated Upon Binding to Trypsin.
Angew. Chem. Int. Ed. Engl., 56, 2017
|
|
8G8O
 | | The crystal structure of JAK2 in complex with Compound 31 | | Descriptor: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Tyrosine-protein kinase JAK2, ... | | Authors: | Miller, S.T, Ellis, D.A. | | Deposit date: | 2023-02-18 | | Release date: | 2023-06-21 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Eyes on Topical Ocular Disposition: The Considered Design of a Lead Janus Kinase (JAK) Inhibitor That Utilizes a Unique Azetidin-3-Amino Bridging Scaffold to Attenuate Off-Target Kinase Activity, While Driving Potency and Aqueous Solubility.
J.Med.Chem., 66, 2023
|
|
6VH2
 | | 2.26 A resolution structure of MERS 3CL protease in complex with inhibitor 7i | | Descriptor: | 4,4-difluorocyclohexyl [(2S)-3-cyclohexyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate, Orf1a protein | | Authors: | Lovell, S, Battaile, K.P, Kashipathy, M.M, Rathnayake, A.D, Zheng, J, Kim, Y, Nguyen, H.N, Chang, K.O, Groutas, W.C. | | Deposit date: | 2020-01-09 | | Release date: | 2020-08-12 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | 3C-like protease inhibitors block coronavirus replication in vitro and improve survival in MERS-CoV-infected mice.
Sci Transl Med, 12, 2020
|
|
8VBK
 | | Structure of bovine anti-HIV Fab ElsE5 | | Descriptor: | Bovine Fab ElsE5 heavy chain, Bovine Fab ElsE5 light chain | | Authors: | Stanfield, R.L, Wilson, I.A. | | Deposit date: | 2023-12-12 | | Release date: | 2024-09-04 | | Last modified: | 2024-09-25 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Immunization of cows with HIV envelope trimers generates broadly neutralizing antibodies to the V2-apex from the ultralong CDRH3 repertoire.
Plos Pathog., 20, 2024
|
|
8ODW
 | | Crystal structure of LbmA Ox-ACP didomain in complex with NADP and ethyl glycinate from the lobatamide PKS (Gynuella sunshinyii) | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Francois, R.M.M, Fraley, A.E, Piel, J, Weissman, K.J, Gruez, A. | | Deposit date: | 2023-03-09 | | Release date: | 2023-05-31 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.07 Å) | | Cite: | Modular Oxime Formation by a trans-AT Polyketide Synthase.
Angew.Chem.Int.Ed.Engl., 62, 2023
|
|
5FJJ
 | | Three-dimensional structures of two heavily N-glycosylated Aspergillus sp. Family GH3 beta-D-glucosidases | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-GLUCOSIDASE, ... | | Authors: | Agirre, J, Ariza, A, Offen, W.A, Turkenburg, J.P, Roberts, S.M, McNicholas, S, Harris, P.V, McBrayer, B, Dohnalek, J, Cowtan, K.D, Davies, G.J, Wilson, K.S. | | Deposit date: | 2015-10-09 | | Release date: | 2016-02-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Three-Dimensional Structures of Two Heavily N-Glycosylated Aspergillus Sp. Family Gh3 Beta-D-Glucosidases
Acta Crystallogr.,Sect.D, 72, 2016
|
|
6P8K
 | | Escherichia coli Bacterioferritin Substituted with Zinc Protoporphyrin IX | | Descriptor: | Bacterioferritin, MALONATE ION, PROTOPORPHYRIN IX CONTAINING ZN, ... | | Authors: | Taylor, A.B, Cioloboc, D, Kurtz, D.M. | | Deposit date: | 2019-06-07 | | Release date: | 2020-05-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure of a Zinc Porphyrin-Substituted Bacterioferritin and Photophysical Properties of Iron Reduction.
Biochemistry, 59, 2020
|
|
8AFQ
 | | Tube assembly of Atg18-PR72AA | | Descriptor: | Autophagy-related protein 18 | | Authors: | Mann, D, Fromm, S, Martinez-Sanchez, A, Gopaldass, N, Mayer, A, Sachse, C. | | Deposit date: | 2022-07-18 | | Release date: | 2023-11-01 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Atg18 oligomer organization in assembled tubes and on lipid membrane scaffolds.
Nat Commun, 14, 2023
|
|
4R5W
 | | Human artd1 (parp1) - catalytic domain in complex with inhibitor xav939 | | Descriptor: | 2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-ol, Poly [ADP-ribose] polymerase 1, SULFATE ION | | Authors: | Karlberg, T, Thorsell, A.G, Schuler, H. | | Deposit date: | 2014-08-22 | | Release date: | 2015-09-02 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.84 Å) | | Cite: | Structural Basis for Potency and Promiscuity in Poly(ADP-ribose) Polymerase (PARP) and Tankyrase Inhibitors.
J.Med.Chem., 60, 2017
|
|
8ANT
 | |
